BDBM50356242 CHEMBL1910461
SMILES: CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(O)=O
InChI Key: InChIKey=OYJHJMVVIQMCQV-HHHXNRCGSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50356242 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356242
(CHEMBL1910461)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(O)=O |r| Show InChI InChI=1S/C28H28N2O5S/c1-18(2)27(28(31)32)30-36(33,34)24-14-10-21(11-15-24)20-8-12-23(13-9-20)35-17-22-16-19(3)29-26-7-5-4-6-25(22)26/h4-16,18,27,30H,17H2,1-3H3,(H,31,32)/t27-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
(Homo sapiens (Human)) | BDBM50356242
(CHEMBL1910461)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(O)=O |r| Show InChI InChI=1S/C28H28N2O5S/c1-18(2)27(28(31)32)30-36(33,34)24-14-10-21(11-15-24)20-8-12-23(13-9-20)35-17-22-16-19(3)29-26-7-5-4-6-25(22)26/h4-16,18,27,30H,17H2,1-3H3,(H,31,32)/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase-1 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |